SCHEMBL8416807

SCHEMBL8416807

CCC(SC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
CPB1 P15086 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FOLH1 Q04609 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1574284 0.88 HTT (0.45) POLBALDH1A1HTTTDP1
SCHEMBL10729283 0.88 TDP1 (0.48) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
Hydrogen Sulfide SCHEMBL11546403 0.85 TDP1 (0.46) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL8419049 0.83 TDP1 (0.43) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL13772960 0.82 POLB (0.39) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL11940979 0.79 TDP1 (0.40) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL1900380 0.77 CPB1 (0.39) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL27959737 0.77 SMN1; SMN2 (0.42) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL8415660 0.77 GPR84 (0.55)
Ammonia Solution, Strong SCHEMBL2546319 0.76 TDP1 (0.42) POLBCYP2C19SMN1; SMN2ALDH1A1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060411-A None JP disclosed
JP-H1160411-A WOOD PRESERVATIVE NOF CORP 1999-03-02 JP disclosed